| Name |
Astrantiasaponin
(-)-Astrantiasaponin |
| Formula |
C59H96O26 |
| Mw |
1220.61898324 |
| CAS RN |
132368-17-3 |
| C_ID |
C00036774
, 
|
| InChIKey |
AQNHCSOPJCSSPT-NIIRDAMINA-N |
| InChICode |
InChI=1S/C59H96O26/c1-24-34(63)39(68)44(73)49(78-24)83-46-36(65)28(62)21-76-51(46)82-33-12-13-55(5)31(56(33,6)23-61)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,18-16-57(26,58)7)53(75)85-52-47(84-50-45(74)40(69)35(64)25(2)79-50)42(71)38(67)30(81-52)22-77-48-43(72)41(70)37(66)29(20-60)80-48/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,27+,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4C6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Sapindaceae | Elattostachys apetala | Ref. |
|
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